SCHEMBL11317541

SCHEMBL11317541

CCOC(=O)CCCNc1ccc(OC)cc1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.54
GAA P10253 2/20 0.54
POLB P06746 1/20 0.51
TOP2A P11388 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
KMT2A Q03164 2/20 0.48
PTPN1 P18031 1/20 0.47
KYAT1 Q16773 1/20 0.47
ALOX15 P16050 1/20 0.47
GLA P06280 1/20 0.47
ALDH1A1 P00352 2/20 0.47
HTT P42858 1/20 0.47
LTA4H P09960 1/20 0.46
KDM4E B2RXH2 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5792896 0.96 GAA (0.53) MAPTGAAPOLBTOP2AL3MBTL1
SCHEMBL6829598 0.94 GAA (0.51) MAPTGAAPOLBL3MBTL1KMT2A
SCHEMBL3140172 0.91 MAPT (0.58) MAPTGAAPOLBTOP2AL3MBTL1
SCHEMBL11317810 0.88 MAPT (0.61) MAPTGAAL3MBTL1KMT2APTPN1
SCHEMBL14570539 0.86 TOP2A (0.53) MAPTGAAPOLBTOP2APTPN1
SCHEMBL23673305 0.84 TOP2A (0.51) MAPTPOLBTOP2AKYAT1ALDH1A1
SCHEMBL4823915 0.84 TOP2A (0.51) MAPTPOLBTOP2AALDH1A1HTT
SCHEMBL23673315 0.84 MAPT (0.51) MAPTGAAPOLBTOP2AKMT2A
SCHEMBL15383209 0.84 MAPT (0.57) MAPTGAAPOLBTOP2AL3MBTL1
SCHEMBL5009825 0.83 TOP2A (0.64) MAPTGAATOP2AALDH1A1LTA4H

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4250183-A GASTOINTESTINAL DISORDERS; DISEASES OF THE PANCREAS, GALL BLADDER, AND LIVER BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1981-02-10 US disclosed